Chemical ID: 5215351

CC(C)(CO)NC(=O)c1ccccc1Br
Chemical ID:
5215351
Name [?]:
2-bromo-N-(2-hydroxy-1,1-dimethyl-ethyl)-benzamide
SMILES [?]:
CC(C)(CO)NC(=O)c1ccccc1Br
InChi [?]:
InChI=1/C11H14BrNO2/c1-11(2,7-14)13-10(15)8-5-3-4-6-9(8)12/h3-6,14H,7H2,1-2H3,(H,13,15)
InChi Info:
AuxInfo=1/1/N:1,3,11,12,10,13,4,9,14,7,2,15,6,5,8/E:(1,2)/rA:15nCCCCONCOCCCCCCBr/rB:s1;s2;s2;s4;s2;s6;d7;s7;s9;d10;s11;d12;d9s13;s14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H14BrNO2
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:7.00304
Area:390.203
Solvation:-2.75203
Coulombic:-39.3991
Bond Count [?]
All:15
Single:11
Double:4
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:272.138
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:2.39
LogP (Chemaxon):1.78

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Descriptor Annotations

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